10-[2-(2-ethoxy-4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenoxy]decanoic acid

Systemtic Name: 10-[2-(2-ethoxy-4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenoxy]decanoic acid Openeye Name: 10-[2-(2-ethoxy-4-hydroxy-4-oxo-butyl)sulfanylphenoxy]decanoic acid CAS Name: 10-[2-[(2-ethoxy-4-hydroxy-4-oxobutyl)thio]phenoxy]decanoic acid IUPAC Name: 10-[2-(2-ethoxy-4-hydroxy-4-oxobutyl)sulfanylphenoxy]decanoic acid Traditional Name: 10-[2-[(2-ethoxy-4-hydroxy-4-keto-butyl)thio]phenoxy]capric acid Formula: C22H34O6S MolecularWeight: 426.56676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC(=O)O)CSC1=CC=CC=C1OCCCCCCCCCC(=O)O

Isomeric SMILES

CCOC(CC(=O)O)CSC1=CC=CC=C1OCCCCCCCCCC(=O)O

InChI

InChI=1S/C22H34O6S/c1-2-27-18(16-22(25)26)17-29-20-13-10-9-12-19(20)28-15-11-7-5-3-4-6-8-14-21(23)24/h9-10,12-13,18H,2-8,11,14-17H2,1H3,(H,23,24)(H,25,26)